3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C27H19Cl2N3O2S — CID 3132346

IUPAC3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C27H19Cl2N3O2S/c1-34-22-5-3-2-4-20(22)31-26(33)25-24(30)23-19(15-6-10-17(28)11-7-15)14-21(32-27(23)35-25)16-8-12-18(29)13-9-16/h2-14H,30H2,1H3,(H,31,33)
InChIKeyZFDVWJTYQKLMAV-UHFFFAOYSA-N
MW520.44 g/mol
LogP7.78
Rot. Bonds5

About 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3132346) has the molecular formula C27H19Cl2N3O2S and a molecular weight of 520.44 g/mol. Its IUPAC name is 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3132346
Molecular FormulaC27H19Cl2N3O2S
Molecular Weight520.44 g/mol
Exact Mass519.06
IUPAC Name3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C27H19Cl2N3O2S/c1-34-22-5-3-2-4-20(22)31-26(33)25-24(30)23-19(15-6-10-17(28)11-7-15)14-21(32-27(23)35-25)16-8-12-18(29)13-9-16/h2-14H,30H2,1H3,(H,31,33)
InChIKeyZFDVWJTYQKLMAV-UHFFFAOYSA-N
XLogP7.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.44
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
3-amino-N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 2067224
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3132346) is 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZFDVWJTYQKLMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O2S/c1-34-22-5-3-2-4-20(22)31-26(33)25-24(30)23-19(15-6-10-17(28)11-7-15)14-21(32-27(23)35-25)16-8-12-18(29)13-9-16/h2-14H,30H2,1H3,(H,31,33).
What are the key properties of 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 520.44 g/mol, XLogP of 7.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3132346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).